(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-ol

C12H24O2Si — CID 140787357

IUPAC(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC1=CCC[C@@H]1O
InChIInChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-9-10-7-6-8-11(10)13/h7,11,13H,6,8-9H2,1-5H3/t11-/m0/s1
InChIKeyYKMLVQJZLSNSTQ-NSHDSACASA-N
MW228.41 g/mol
LogP3.09
Rot. Bonds3

About (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-ol

(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-ol (PubChem CID 140787357) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-ol
PubChem CID140787357
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Name(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-ol
SMILESCC(C)(C)[Si](C)(C)OCC1=CCC[C@@H]1O
InChIInChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-9-10-7-6-8-11(10)13/h7,11,13H,6,8-9H2,1-5H3/t11-/m0/s1
InChIKeyYKMLVQJZLSNSTQ-NSHDSACASA-N
XLogP3.09
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Cyclopenten-1-ol, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, cis-
CID 10176747
2-{[(Tert-butyldimethylsilyl)oxy]methyl}cyclohex-2-en-1-ol
CID 85788879
(R)-2-((Trimethylsilyl)ethynyl)cyclopent-2-en-1-ol
CID 10932039
(Z)-2-methyl-3-(trimethylsilylmethyl)oct-3-ene-2,7-diol
CID 13508268
(1S,4R)-4-[tert-butyl(dimethyl)silyl]oxycyclohex-2-en-1-ol
CID 15263360
(1R,4R)-4-[tert-butyl(dimethyl)silyl]oxy-2-iodo-3-methylcyclopent-2-en-1-ol
CID 16071335
(E)-3-methyl-6-triethylsilyloxyhex-2-en-1-ol
CID 101521913
(4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol
CID 134832873
Rel-(1R,4S)-4-((tert-butyldimethylsilyl)oxy)cyclopent-2-en-1-ol
CID 10910904
(1S,4S)-4-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-ol
CID 11020261
(S,Z)-2-(5-((tert-butyldiMethylsilyl)oxy)-2-Methylenecyclohexylidene)ethanol
CID 11119109
(1R,4R)-4-((tert-Butyldimethylsilyl)oxy)cyclopent-2-en-1-ol
CID 10878531

Frequently Asked Questions

What is the IUPAC name of (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-ol?
The IUPAC name of (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-ol (CID 140787357) is (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-ol.
What is the SMILES notation for (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-ol?
The canonical SMILES for (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-ol is CC(C)(C)[Si](C)(C)OCC1=CCC[C@@H]1O.
What is the InChIKey of (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-ol?
The InChIKey is YKMLVQJZLSNSTQ-NSHDSACASA-N. The full InChI is InChI=1S/C12H24O2Si/c1-12(2,3)15(4,5)14-9-10-7-6-8-11(10)13/h7,11,13H,6,8-9H2,1-5H3/t11-/m0/s1.
What are the key properties of (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-ol?
(1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-ol has a molecular weight of 228.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclopent-2-en-1-ol is sourced from PubChem (CID 140787357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).